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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-Lipoxygenase' and Monomerid = 50042524   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM50042524
PNG
(CHEMBL331062 | N-hydroxy-N'-isopropyl-N-[(6-phenox...)
Show SMILES CC(C)NC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1
Show InChI InChI=1S/C20H22N2O4/c1-14(2)21-20(23)22(24)12-15-10-16-11-18(8-9-19(16)25-13-15)26-17-6-4-3-5-7-17/h3-11,14,24H,12-13H2,1-2H3,(H,21,23)
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Article
PubMed
n/an/a 49n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-lipoxygenase by reduction of 5-hydroxyeicosatetraenoic acid (5-HETE) formed in guinea pig polymorphonuclear le...


J Med Chem 36: 3580-94 (1994)


Article DOI: 10.1021/jm00075a013
BindingDB Entry DOI: 10.7270/Q29G5KVC
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM50042524
PNG
(CHEMBL331062 | N-hydroxy-N'-isopropyl-N-[(6-phenox...)
Show SMILES CC(C)NC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1
Show InChI InChI=1S/C20H22N2O4/c1-14(2)21-20(23)22(24)12-15-10-16-11-18(8-9-19(16)25-13-15)26-17-6-4-3-5-7-17/h3-11,14,24H,12-13H2,1-2H3,(H,21,23)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 63n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-lipoxygenase by reduction of LTB4 formed in guinea pig polymorphonuclear leukocytes (PMNs).


J Med Chem 36: 3580-94 (1994)


Article DOI: 10.1021/jm00075a013
BindingDB Entry DOI: 10.7270/Q29G5KVC
More data for this
Ligand-Target Pair